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The kinetic processes in nanoparticle-based catalysis are dominated by large fluctuations and spatiotemporal heterogeneities, in particular for diffusion-influenced reactions which are far from equilibrium. Here, we report results from…

Chemical Physics · Physics 2020-11-03 Yi-Chen Lin , Won Kyu Kim , Joachim Dzubiella

We present a detailed theory for the total reaction rate constant of a composite core-shell nanoreactor, consisting of a central solid core surrounded by a hydrogel layer of variable thickness, where a given number of small catalytic…

Metallic nanoparticles embedded in stimuli-responsive polymers can be regarded as nanoreactors since their catalytic activity can be changed within wide limits: the physicochemical properties of the polymer network can be tuned and switched…

Chemical Physics · Physics 2015-07-22 Stefano Angioletti-Uberti , Yan Lu , Matthias Ballauff , Joachim Dzubiella

Electrostatic reaction inhibition in heterogeneous catalysis emerges if charged reactants and products are adsorbed on the catalyst and thus repel the approaching reactants. In this work, we study the effects of electrostatic inhibition on…

Chemical Physics · Physics 2021-04-14 Yi-Chen Lin , Rafael Roa , Joachim Dzubiella

In modern applications of heterogeneous liquid-phase nanocatalysis, the catalysts (e.g., metal nanoparticles) need to be typically affixed to a colloidal carrier system for stability and easy handling. "Passive carriers" (e.g., simple…

Chemical Physics · Physics 2020-03-23 Matej Kanduc , Won Kyu Kim , Rafael Roa , Joachim Dzubiella

We propose a general theoretical description of chemical reactions occurring on a catalytic surface with heterogeneous reactivity. The propagator of a diffusion-reaction process with eventual absorption on the heterogeneous partially…

Chemical Physics · Physics 2019-11-05 Denis S. Grebenkov

Bubble formation in electrochemical system often hinders reaction efficiency by reducing active surface area and obstructing mass transfer, yet the mechanisms governing their nanoscale nucleation dynamics and impact remains unclear. In this…

Soft Condensed Matter · Physics 2025-09-26 Zhenlei Wanga , Yaxi Yua , Mengkai Qin , Hao Jiang , Zhenjiang Guo , Lu Bai , Limin Wang , Xiaochun Zhang , Xiangping Zhang , Yawei Liu

Every mathematical model describing physical phenomena is an approximation to model reality, hence has its limitations. Depending on characteristic values of the variables in the model, different aspects of the model and, e.g.,…

Analysis of PDEs · Mathematics 2019-12-02 Björn Augner , Dieter Bothe

Biphasic chemical reactions compartmentalized in small droplets offer advantages, such as streamlined procedures for chemical analysis, enhanced chemical reaction efficiency and high specificity of conversion. In this work, we…

Soft Condensed Matter · Physics 2020-07-10 Zhengxin Li , Akihito Kiyama , Hongbo Zeng , Detlef Lohse , Xuehua Zhang

A single levitated nanoparticle is used as a nano-reactor for studying surface chemistry at the nanoscale. Optical levitation under controlled pressure, surrounding gas composition, and humidity provides extreme control over the…

The compartmentalization of chemical reactions within droplets has advantages in low costs, reduced consumption of reagents and increased throughput. Reactions in small droplets have also been shown to greatly accelerate the rate of many…

Soft Condensed Matter · Physics 2020-07-27 Brendan P. Dyett , Xuehua Zhang

Bimetallic nanoparticles serve as a vital class of catalysts with tunable properties suitable for diverse catalytic reactions, yet a comprehensive understanding of their structural evolution under operational conditions as well as their…

Materials Science · Physics 2025-02-04 Yaxin Tang , Mingao Hou , Qian He , Guangfu Luo

The collective behavior of chemically propelled sphere-dimer motors made from linked catalytic and noncatalytic spheres in a quasi-two-dimensional confined geometry is studied using a coarse-grained microscopic dynamical model. Chemical…

Soft Condensed Matter · Physics 2019-01-09 Peter H. Colberg , Raymond Kapral

We study diffusion of particles on the surface of a sphere toward a partially reactive circular target with partly reversible binding kinetics. We solve the coupled diffusion-reaction equations and obtain the exact expressions for the…

Statistical Mechanics · Physics 2019-11-05 Denis S. Grebenkov

This paper studies the problem of receiver modeling in molecular communication systems. We consider the diffusive molecular communication channel between a transmitter nano-machine and a receiver nano-machine in a fluid environment. The…

Emerging Technologies · Computer Science 2016-10-04 Arman Ahmadzadeh , Hamidreza Arjmandi , Andreas Burkovski , Robert Schober

Bubble nucleation in liquid confined in nanochannel is studied using molecular dynamics simulations and compared against nucleation in the liquid over smooth (i.e. without confinement). Nucleation is achieved by heating part of a surface to…

Fluid Dynamics · Physics 2022-01-24 Manish Gupta , Shalabh C. Maroo

Spherical-cap-shaped interfacial nanobubbles (NBs) forming on hydrophobic surfaces in aqueous solutions have extensively been studied both from a fundamental point of view and due to their relevance for various practical applications. In…

Fluid Dynamics · Physics 2022-08-18 Yuliang Wang , Xiaolai Li , Shuai Ren , Hadush Tedros Alem , Lijun Yang , Detlef Lohse

Inspired by the path followed by Matthias Ballauff over the past 20 years, the development of thermosensitive core-shell microgel structures is reviewed. Different chemical approaches, from hard nanoparticle cores to double…

Soft Condensed Matter · Physics 2020-11-17 Julian Oberdisse , Thomas Hellweg

Surface nanobubbles are nanoscopic spherical-cap shaped gaseous domains on immersed substrates which are stable, even for days. After the stability of a {\it single} surface nanobubble has been theoretically explained, i.e. contact line…

Fluid Dynamics · Physics 2020-02-06 Xiaojue Zhu , Roberto Verzicco , Xuehua Zhang , Detlef Lohse

Macroscopic batch reactors are a core concept in chemical synthesis and catalysis due to their ability to ensure high conversion rates of the used reactants. At the nanoscale, such reactors hold promise due to their potential to enable…

Chemical Physics · Physics 2025-01-24 Björn Altenburger , Joachim Fritzsche , Christoph Langhammer
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